U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C25H34N6O3
Molecular Weight 466.5759
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES-N-ETHYL 3,5-DIMETHYLACETILDENAFIL

SMILES

CCCC1=NN(C)C2=C1NC(=NC2=O)C3=C(OCC)C=CC(=C3)C(=O)CN4C[C@H](C)N[C@H](C)C4

InChI

InChIKey=YMCRGTBWSIWENP-IYBDPMFKSA-N
InChI=1S/C25H34N6O3/c1-6-8-19-22-23(30(5)29-19)25(33)28-24(27-22)18-11-17(9-10-21(18)34-7-2)20(32)14-31-12-15(3)26-16(4)13-31/h9-11,15-16,26H,6-8,12-14H2,1-5H3,(H,27,28,33)/t15-,16+

HIDE SMILES / InChI

Molecular Formula C25H34N6O3
Molecular Weight 466.5759
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:24:43 GMT 2023
Edited
by admin
on Sat Dec 16 11:24:43 GMT 2023
Record UNII
6G16RO326J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES-N-ETHYL 3,5-DIMETHYLACETILDENAFIL
Common Name English
DIMETHYL ACETILDENAFIL
Common Name English
DIMETHYLACETILDENAFIL
Common Name English
5-(5-(2-(3,5-DIMETHYL-1-PIPERAZINYL)ACETYL)-2-ETHOXYPHENYL)-1,6-DIHYDRO-1-METHYL-3-PROPYL-7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE
Systematic Name English
7H-PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE, 5-(5-(2-((3R,5S)-3,5-DIMETHYL-1-PIPERAZINYL)ACETYL)-2-ETHOXYPHENYL)-1,6-DIHYDRO-1-METHYL-3-PROPYL-, REL-
Systematic Name English
Code System Code Type Description
FDA UNII
6G16RO326J
Created by admin on Sat Dec 16 11:24:43 GMT 2023 , Edited by admin on Sat Dec 16 11:24:43 GMT 2023
PRIMARY
PUBCHEM
135564638
Created by admin on Sat Dec 16 11:24:43 GMT 2023 , Edited by admin on Sat Dec 16 11:24:43 GMT 2023
PRIMARY
CAS
1417999-76-8
Created by admin on Sat Dec 16 11:24:43 GMT 2023 , Edited by admin on Sat Dec 16 11:24:43 GMT 2023
PRIMARY
CAS
1290041-88-1
Created by admin on Sat Dec 16 11:24:43 GMT 2023 , Edited by admin on Sat Dec 16 11:24:43 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY